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Halogen bonds with benzene: an assessment of DFT functionals

Alessandra Forni1, Stefano Pieraccini, Stefano Rendine

  • 1Istituto di Scienze e Tecnologie Molecolari (ISTM), CNR, and INSTM UdR, Via Golgi 19, Milano, 20133, Italy.

Journal of Computational Chemistry
|December 17, 2013
PubMed

Keywords:
benchmark calculationsdensity functional theoryhalogen bond

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